sorbate_atom_group_info=[{'domain':Domain1,'ref_id_list':sorbate_id_list_domain1,'ref_group_names':sorbate_group_names_domain1,'ref_sym_list':[],'domain_tag':''}]
sorbate_groups,sorbate_group_names=domain_creator.setup_atom_group(gp_info=sorbate_atom_group_info)
for i in range(len(sorbate_groups)):vars()[sorbate_group_names[i]]=sorbate_groups[i]
##<Define other pars>##
rgh=domain_creator.define_global_vars(rgh=UserVars(),domain_number=NUMBER_DOMAIN)#global vars
rgh_raxs=domain_creator.define_raxs_vars(rgh=UserVars(),number_spectra=NUMBER_RAXS_SPECTRA,number_domain=1)#RAXR spectra pars
rgh_dlw=domain_creator.define_diffused_layer_water_vars(rgh=UserVars())#Diffused Layered water pars
rgh_dls=domain_creator.define_diffused_layer_sorbate_vars(rgh=UserVars())#Diffused Layered sorbate pars
##<make fit table file>##
if not RUN:
table_container=[]
rgh_instance_list=[rgh]+groups+sorbate_groups+Gaussian_groups+[rgh_gaussian]+[rgh_gaussian_freeze]+[vars()['rgh_domain1_set'+str(i+1)] for i in range(NUMBER_SORBATE_LAYER)]+[rgh_dlw,rgh_dls]
rgh_instance_name_list=['rgh']+group_names+sorbate_group_names+Gaussian_group_names+['rgh_gaussian']+['rgh_gaussian_freeze']+['rgh_domain1_set'+str(i+1) for i in range(NUMBER_SORBATE_LAYER)]+['rgh_dlw','rgh_dls']
table_container=make_grid.set_table_input_all(container=table_container,rgh_instance_list=rgh_instance_list,rgh_instance_name_list=rgh_instance_name_list,par_file=os.path.join(BATCH_PATH_HEAD,'pars_ranges.txt'))
#raxs pars
table_container=make_grid.set_table_input_raxs(container=table_container,rgh_group_instance=rgh_raxs,rgh_group_instance_name='rgh_raxs',par_range={'a':[0,20],'b':[-5,5],'c':[0,10],'A':[0,10],'P':[0,1]},number_spectra=NUMBER_RAXS_SPECTRA,number_domain=1)
#build up the tab file
make_grid.make_table(container=table_container,file_path=os.path.join(OUTPUT_FILE_PATH,'par_table.tab'))
##<fitting function part>##
if COUNT_TIME:t_1=datetime.now()
VARS=vars()
def Sim(data,VARS=VARS):
##<update the basis info>##
INFO_LIB['basis']=np.array([unitcell.a, unitcell.b, unitcell.c])
##<Extract pars>##
layered_water_pars=vars(rgh_dlw)
layered_sorbate_pars=vars(rgh_dls)
